4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide

C17H22Cl2N2O2 — CID 109144433

IUPAC4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H22Cl2N2O2/c1-2-9-20-16(22)11-3-5-12(6-4-11)17(23)21-15-8-7-13(18)10-14(15)19/h7-8,10-12H,2-6,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyAQYFQFMPSXTWFT-UHFFFAOYSA-N
MW357.28 g/mol
LogP4.26
Rot. Bonds5

About 4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide

4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide (PubChem CID 109144433) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is 4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
PubChem CID109144433
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC Name4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H22Cl2N2O2/c1-2-9-20-16(22)11-3-5-12(6-4-11)17(23)21-15-8-7-13(18)10-14(15)19/h7-8,10-12H,2-6,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyAQYFQFMPSXTWFT-UHFFFAOYSA-N
XLogP4.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144375
4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146575
4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144380
4-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144341
4-N-(4-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149846
4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 54928746
4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144371
1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144629
4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide
CID 87026899
1-N-(2,5-dichlorophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130599
4-N-(4-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148995
1-(2,4-dichlorophenyl)-3-propylthiourea
CID 2281624

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide (CID 109144433) is 4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide is CCCNC(=O)C1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The InChIKey is AQYFQFMPSXTWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-2-9-20-16(22)11-3-5-12(6-4-11)17(23)21-15-8-7-13(18)10-14(15)19/h7-8,10-12H,2-6,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide has a molecular weight of 357.28 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).